CID 3085616

2-methyl-5-pentyl-4,5-dihydro-3(2h)-furanone

Structural Information

Molecular Formula
C10H18O2
SMILES
CCCCC[C@H]1CC(=O)[C@@H](O1)C
InChI
InChI=1S/C10H18O2/c1-3-4-5-6-9-7-10(11)8(2)12-9/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKey
XLPAUDSMYFHMHV-IUCAKERBSA-N
Compound name
(2S,5S)-2-methyl-5-pentyloxolan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 138.6
[M+Na]+ 193.11990 145.6
[M-H]- 169.12340 142.5
[M+NH4]+ 188.16450 160.0
[M+K]+ 209.09384 145.4
[M+H-H2O]+ 153.12794 133.8
[M+HCOO]- 215.12888 160.3
[M+CH3COO]- 229.14453 180.6
[M+Na-2H]- 191.10535 141.8
[M]+ 170.13013 140.2
[M]- 170.13123 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.